2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol

C13H20N2O4S — CID 43104623

IUPAC2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
SMILESNc1cc(S(=O)(=O)N2CCCCC2CCO)ccc1O
InChIInChI=1S/C13H20N2O4S/c14-12-9-11(4-5-13(12)17)20(18,19)15-7-2-1-3-10(15)6-8-16/h4-5,9-10,16-17H,1-3,6-8,14H2
InChIKeyXNBJXBWOQCMOKK-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol

2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol (PubChem CID 43104623) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol.

Molecular Properties

Compound Name2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
PubChem CID43104623
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
SMILESNc1cc(S(=O)(=O)N2CCCCC2CCO)ccc1O
InChIInChI=1S/C13H20N2O4S/c14-12-9-11(4-5-13(12)17)20(18,19)15-7-2-1-3-10(15)6-8-16/h4-5,9-10,16-17H,1-3,6-8,14H2
InChIKeyXNBJXBWOQCMOKK-UHFFFAOYSA-N
XLogP0.90
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonylphenol
CID 62885207
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469324
2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 63321689
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 146025002
6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124964528
2-(2-hydroxyethyl)piperidine-1-sulfonamide
CID 112689810
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
CID 11501806
2-[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]piperidin-2-yl]ethanol
CID 62144222

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol?
The IUPAC name of 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol (CID 43104623) is 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol.
What is the SMILES notation for 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol?
The canonical SMILES for 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol is Nc1cc(S(=O)(=O)N2CCCCC2CCO)ccc1O.
What is the InChIKey of 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol?
The InChIKey is XNBJXBWOQCMOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c14-12-9-11(4-5-13(12)17)20(18,19)15-7-2-1-3-10(15)6-8-16/h4-5,9-10,16-17H,1-3,6-8,14H2.
What are the key properties of 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol?
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol has a molecular weight of 300.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol is sourced from PubChem (CID 43104623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).